5-(6,7-dimethoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(2-methylpropyl)isoindole-1,3-dione

Systemtic Name: 5-(6,7-dimethoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(2-methylpropyl)isoindole-1,3-dione Openeye Name: 5-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2-isobutyl-isoindoline-1,3-dione CAS Name: 5-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2-(2-methylpropyl)isoindole-1,3-dione IUPAC Name: 5-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)-2-(2-methylpropyl)isoindole-1,3-dione Traditional Name: 2-isobutyl-5-(4-keto-6,7-dimethoxy-3,1-benzoxazin-2-yl)isoindoline-1,3-quinone Formula: C22H20N2O6 MolecularWeight: 408.404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=CC(=C(C=C4C(=O)O3)OC)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)C3=NC4=CC(=C(C=C4C(=O)O3)OC)OC

InChI

InChI=1S/C22H20N2O6/c1-11(2)10-24-20(25)13-6-5-12(7-14(13)21(24)26)19-23-16-9-18(29-4)17(28-3)8-15(16)22(27)30-19/h5-9,11H,10H2,1-4H3